methyl N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-(phenylmethyl)carbamimidothioate Openeye Name: 3-benzyl-1-[(4-hydroxyphenyl)methyl]-2-methyl-1-phenethyl-isothiourea CAS Name: N-[(4-hydroxyphenyl)methyl]-N-phenethyl-N'-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-benzyl-N-[(4-hydroxyphenyl)methyl]-N-phenethylcarbamimidothioate Traditional Name: 3-benzyl-1-(4-hydroxybenzyl)-2-methyl-1-phenethyl-isothiourea Formula: C24H26N2OS MolecularWeight: 390.54104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCC1=CC=CC=C1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)O

Isomeric SMILES

CSC(=NCC1=CC=CC=C1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C24H26N2OS/c1-28-24(25-18-21-10-6-3-7-11-21)26(17-16-20-8-4-2-5-9-20)19-22-12-14-23(27)15-13-22/h2-15,27H,16-19H2,1H3